[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate

C20H17NO4S2 — CID 18202620

IUPAC[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESCN(Cc1ccsc1)C(=O)COC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H17NO4S2/c1-21(11-14-8-10-26-13-14)18(22)12-25-20(24)16-6-3-2-5-15(16)19(23)17-7-4-9-27-17/h2-10,13H,11-12H2,1H3
InChIKeyBCGJCQSPMPQSOO-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.86
Rot. Bonds7

About [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate

[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate (PubChem CID 18202620) has the molecular formula C20H17NO4S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
PubChem CID18202620
Molecular FormulaC20H17NO4S2
Molecular Weight399.49 g/mol
Exact Mass399.06
IUPAC Name[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESCN(Cc1ccsc1)C(=O)COC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C20H17NO4S2/c1-21(11-14-8-10-26-13-14)18(22)12-25-20(24)16-6-3-2-5-15(16)19(23)17-7-4-9-27-17/h2-10,13H,11-12H2,1H3
InChIKeyBCGJCQSPMPQSOO-UHFFFAOYSA-N
XLogP3.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344669
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55397033
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 9231185
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 8567676
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46518980
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18203756
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199747
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200491
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926918
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 30656026

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate (CID 18202620) is [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate is CN(Cc1ccsc1)C(=O)COC(=O)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is BCGJCQSPMPQSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S2/c1-21(11-14-8-10-26-13-14)18(22)12-25-20(24)16-6-3-2-5-15(16)19(23)17-7-4-9-27-17/h2-10,13H,11-12H2,1H3.
What are the key properties of [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate?
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 399.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 18202620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).